CID 6454392

2'-bromopropiophenone

Structural Information

Molecular Formula
C9H9BrO
SMILES
CCC(=O)C1=CC=CC=C1Br
InChI
InChI=1S/C9H9BrO/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChIKey
SFCCOHHWKRVDHH-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

711
Patents

211.98367 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.990946 136.5
[M+Na]+ 234.972888 148.0
[M-H]- 210.976394 143.0
[M+NH4]+ 230.017493 158.9
[M+K]+ 250.946828 137.5
[M+H-H2O]+ 194.980930 137.0
[M+HCOO]- 256.981871 158.0
[M+CH3COO]- 270.997521 184.9
[M+Na-2H]- 232.958336 143.8
[M]+ 211.98312142 155.4
[M]- 211.98421858 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe